Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 3/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19358958 | 0.88 | HTT (0.53) | ALDH1A1ADRB2HTTBCAT2CYP3A4 | |
| SCHEMBL1072315 | 0.82 | ALDH1A1 (0.73) | ALDH1A1ADRB2HTTBCAT2KDR | |
| SCHEMBL6068362 | 0.81 | ALDH1A1 (0.60) | ALDH1A1HTTKDM4EHPGDKMT2A | |
| SCHEMBL2892111 | 0.79 | HTT (0.56) | ALDH1A1HTTNAMPTKDM4EMEN1 | |
| SCHEMBL13948995 | 0.78 | ALDH1A1 (0.70) | ALDH1A1HTTCYP3A4NAMPTKDM4E | |
| SCHEMBL16267498 | 0.78 | KDR (0.54) | ALDH1A1ADRB2KDRCYP1A2CYP2C19 | |
| SCHEMBL2899135 | 0.77 | MEN1 (0.67) | ALDH1A1HTTNAMPTKDM4EMEN1 | |
| SCHEMBL13322124 | 0.76 | TYK2 (0.67) | ALDH1A1HTTNAMPTKDM4EMEN1 | |
| SCHEMBL28072916 | 0.76 | HTT (0.67) | ALDH1A1HTTNAMPTKDM4EMEN1 | |
| SCHEMBL28072777 | 0.76 | JAK2 (0.67) | ALDH1A1HTTCYP3A4NAMPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5700941-A | Octahydronaphthyridine derivatives | MERCK, SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |